Glycoside
GD124402
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-8-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-5-yl acetateFormula:
C30H34O18Smiles:
COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(O)c3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(O)c(O)c3o2)ccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.47 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 682.58 | Num_heavy_atoms: | 48 |
| TPSA: | 284.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD50251
Formula: C18H14O8
Smiles:
COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(O)c(O)c3o2)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.3 | Num_heavy_atoms: | 26 |
| TPSA: | 126.43 | NumAromaticRings: | 3 |
